Chem
J-GLOBAL ID:200907002218785924   Nikkaji number:J93.616B

4-[4-[[4-[Ethyl[2-[(methylsulfonyl)amino]ethyl]amino]-2-methylphenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid potassium salt

カリウム=4-{4-{4-{N-エチル-N-[2-(メチルスルホニルアミノ)エチル]アミノ}-2-メチルベンジリデン}-3-メチル-5-オキソ-2-ピラゾリン-1-イル}ベンゼンスルホナート
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C23H27KN4O6S2
Molecular formula furigana: C23-H27-K-N4-O6-S2
Molecular weight: 558.710
InChI: InChI=1S/C23H28N4O6S2.K/c1-5-26(13-12-24-34(4,29)30)20-7-6-18(16(2)14-20)15-22-17(3)25-27(23(22)28)19-8-10-21(11-9-19)35(31,32)33;/h6-11,14-15,24H,5,12-13H2,1-4H3,(H,31,32,33);/q;+1/p-1
InChI key: XTNNXGSORWLPIM-UHFFFAOYSA-M
SMILES: CCN(CCNS(=O)(=O)C)c1ccc(C=C2C(=NN(C2=O)c2ccc(cc2)S(=O)(=O)O[K])C)c(C)c1
Systematic name  (3):
  • 4-[4-[[4-[エチル[2-[(メチルスルホニル)アミノ]エチル]アミノ]-2-メチルフェニル]メチレン]-4,5-ジヒドロ-3-メチル-5-オキソ-1H-ピラゾール-1-イル]ベンゼンスルホン酸カリウム
  • カリウム 4-[4-({4-[エチル(2-メタンスルホンアミドエチル)アミノ]-2-メチルフェニル}メチリデン)-3-メチル-5-オキソ-4,5-ジヒドロ-1H-ピラゾール-1-イル]ベンゼン-1-スルホナート
  • potassium 4-[4-({4-[ethyl(2-methanesulfonamidoethyl)amino]-2-methylphenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonate
Other name (2):
  • 4-[4-[[4-[Ethyl[2-[(methylsulfonyl)amino]ethyl]amino]-2-methylphenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid potassium salt
  • カリウム=4-{4-{4-{N-エチル-N-[2-(メチルスルホニルアミノ)エチル]アミノ}-2-メチルベンジリデン}-3-メチル-5-オキソ-2-ピラゾリン-1-イル}ベンゼンスルホナート
CAS registry number: 94491-22-2
Regulation number (2):
  • (5)-5766
  • 8-(2)-1256
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